2FW2

catalytic domain of cdy

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 118
  • Norm. En. per Res.: -2.9533
• Hub Node: A(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-34.1546	4.9776	-269.196	-298.373	116	19	13	12940	1	22	27
A-C	-39.1852	-25.2759	-284.028	-348.4892	118	9	11	13169	2	22	26
A-D	0.0	0.0	-0.2235	-0.2235	11	0	0	81	0	2	1
A-F	-9.2886	19.3021	-80.5811	-70.5677	54	7	1	3751	3	34	45
B-C	-37.1946	-5.8307	-268.615	-311.6402	114	9	10	12877	1	20	27
B-E	-8.7741	31.8711	-54.7254	-31.6284	38	3	1	2490	4	30	35
B-F	0.0	0.0	-0.0968	-0.0968	5	0	0	34	0	2	1
C-D	-13.455	-16.8404	-65.0822	-95.3776	46	3	1	2839	5	34	36
C-E	0.0	0.0	-1.1946	-1.1946	10	0	0	155	0	2	1
D-E	-18.3042	-3.4642	-265.843	-287.6114	112	14	12	12679	1	22	24
D-F	-33.0793	-18.0241	-256.741	-307.8444	116	10	9	12383	1	22	25
E-F	-27.0598	-14.5826	-278.323	-319.9654	118	5	8	12842	2	23	26

Interface residues

• A-B: ALA159A, ALA161A, ALA167A, ALA176B, ALA178A, ALA178B, ALA207B, ALA215B, ALA228A, ARG169A, ARG174B, ARG218B, ARG231A, ASN162A, ASN206B, ASN220B, ASN229A, ASP123B, ASP145A, CYS122B, CYS147A, CYS177B, CYS213B, CYS219B, CYS233A, GLN142A, GLN184B, GLN198B, GLN227A, GLN244A, GLU163A, GLU175B, GLU194B, GLU201B, GLU211B, GLU212B, GLU224A, GLU224B, GLU230A, GLU232A, GLU234A, GLU247A, GLY141A, GLY157A, GLY168A, GLY180B, GLY245A, ILE103B, ILE118B, ILE150A, ILE166A, ILE199B, ILE208B, ILE221A, ILE221B, ILE239A, ILE97B, LEU119B, LEU121B, LEU124B, LEU165A, LEU181B, LEU202B, LEU210B, LEU216B, LEU223A, LEU225A, LEU225B, LEU236A, LEU51B, LYS154A, LYS154B, LYS158A, LYS179A, LYS179B, LYS214B, LYS222B, LYS238A, LYS50B, MET155A, MET155B, MET156A, MET156B, MET164A, PHE140A, PHE152A, PHE186B, PHE96B, PRO102B, PRO120B, PRO136A, PRO144A, PRO153A, SER143A, SER148A, SER149A, SER160A, SER183B, SER204B, SER242A, SER248A, THR138A, THR139A, THR151A, THR151B, TRP126B, TYR137A, TYR205B, VAL104B, VAL105B, VAL125B, VAL182B, VAL185B, VAL209B, VAL217B, VAL235A
• A-C: ALA159C, ALA161C, ALA167C, ALA176A, ALA178A, ALA178C, ALA207A, ALA215A, ALA228C, ARG169C, ARG218A, ARG231C, ASN162C, ASN206A, ASN220A, ASN229C, ASP123A, ASP145C, CYS122A, CYS147C, CYS177A, CYS213A, CYS219A, CYS233C, GLN142C, GLN184A, GLN198A, GLN227C, GLN244C, GLU163C, GLU201A, GLU211A, GLU212A, GLU224A, GLU224C, GLU230C, GLU232C, GLU234C, GLU247C, GLY141C, GLY157C, GLY168C, GLY180A, GLY245C, ILE103A, ILE118A, ILE150C, ILE166C, ILE199A, ILE208A, ILE221A, ILE221C, ILE239C, ILE97A, LEU119A, LEU121A, LEU124A, LEU165C, LEU171C, LEU181A, LEU202A, LEU210A, LEU216A, LEU223C, LEU225A, LEU225C, LEU236C, LEU51A, LYS101A, LYS154A, LYS154C, LYS158C, LYS179A, LYS179C, LYS214A, LYS222A, LYS238C, LYS251C, LYS50A, MET155A, MET155C, MET156A, MET156C, MET164C, PHE140C, PHE152C, PHE186A, PHE96A, PHE99A, PRO102A, PRO120A, PRO136C, PRO144C, PRO153C, SER143C, SER148C, SER149C, SER160C, SER183A, SER204A, SER242C, SER248C, THR138C, THR139C, THR151A, THR151C, TRP126A, TYR137C, TYR205A, VAL104A, VAL105A, VAL125A, VAL182A, VAL185A, VAL195A, VAL209A, VAL217A, VAL235C
• A-D: ASN220A, ASN220D, CYS219A, CYS219D, GLN227D, GLU226A, LEU223A, LEU223D, LYS100A, LYS100D, LYS222A
• A-F: ALA228A, ALA81A, ALA81F, ARG231A, ARG231F, ARG237A, ARG237F, ASN229A, ASN229F, ASN79A, ASN79F, ASN91A, ASN91F, ASN94A, ASN94F, ASP77A, ASP77F, ASP87A, ASP87F, CYS233A, CYS233F, GLN227A, GLN227F, GLN98F, GLU224A, GLU224F, GLU226A, GLU226F, GLU230A, GLU230F, GLU234A, GLU234F, GLU84A, GLU84F, LEU223A, LEU223F, LEU83A, LEU83F, LYS238A, LYS238F, LYS35F, LYS90A, LYS90F, MET85A, MET85F, SER82A, SER82F, THR31F, THR80A, THR80F, THR88A, THR88F, VAL86A, VAL86F
• B-C: ALA159B, ALA161B, ALA167B, ALA176C, ALA178B, ALA178C, ALA207C, ALA215C, ALA228B, ARG169B, ARG218C, ARG231B, ASN162B, ASN206C, ASN220C, ASN229B, ASP123C, ASP145B, CYS122C, CYS147B, CYS147C, CYS177C, CYS213C, CYS219C, CYS233B, GLN134B, GLN142B, GLN184C, GLN198C, GLN227B, GLN244B, GLU163B, GLU201C, GLU211C, GLU212C, GLU224B, GLU224C, GLU230B, GLU232B, GLU234B, GLU247B, GLY141B, GLY157B, GLY168B, GLY180C, GLY245B, ILE103C, ILE118C, ILE150B, ILE150C, ILE166B, ILE208C, ILE221B, ILE221C, ILE239B, ILE97C, LEU119C, LEU121C, LEU124C, LEU165B, LEU181C, LEU202C, LEU210C, LEU216C, LEU223B, LEU225B, LEU225C, LEU236B, LEU51C, LYS154B, LYS154C, LYS158B, LYS179B, LYS179C, LYS214C, LYS238B, MET155B, MET155C, MET156B, MET156C, MET164B, PHE140B, PHE152B, PHE186C, PHE96C, PRO102C, PRO120C, PRO136B, PRO144B, PRO153B, SER143B, SER148B, SER149B, SER160B, SER183C, SER204C, SER242B, SER248B, THR135B, THR138B, THR139B, THR151B, THR151C, TRP126C, TYR137B, TYR205C, VAL104C, VAL105C, VAL125C, VAL182C, VAL185C, VAL209C, VAL217C, VAL235B
• B-E: ALA228E, ALA81B, ALA81E, ARG231B, ARG231E, ARG237B, ARG237E, ARG78E, ASN79B, ASN79E, ASP77B, ASP77E, ASP87B, ASP87E, CYS233B, CYS233E, GLN227B, GLN227E, GLU224B, GLU224E, GLU226B, GLU226E, GLU230B, GLU230E, GLU234B, GLU234E, GLU84B, GLU84E, LEU223B, LEU223E, LEU83B, LEU83E, LYS90B, LYS90E, SER82E, THR80B, THR80E, VAL86B
• B-F: ASN220F, CYS219B, CYS219F, LEU223B, LEU223F
• C-D: ALA228D, ALA81C, ALA81D, ARG231C, ARG231D, ARG237C, ARG237D, ARG78C, ASN79C, ASN79D, ASN91C, ASN94D, ASP77C, ASP77D, ASP87C, ASP87D, CYS233D, GLN227C, GLN227D, GLU224C, GLU224D, GLU226D, GLU230C, GLU230D, GLU234C, GLU234D, GLU84C, GLU84D, LEU223C, LEU223D, LEU83C, LEU83D, LYS238C, LYS238D, LYS90C, LYS90D, MET85D, SER241C, SER241D, SER82C, SER82D, THR80C, THR80D, THR88D, VAL86C, VAL86D
• C-E: ASN220C, ASN220E, CYS219C, CYS219E, GLN227C, GLN227E, LEU223C, LEU223E, LYS222C, LYS222E
• D-E: ALA159D, ALA161D, ALA167D, ALA176E, ALA178D, ALA178E, ALA207E, ALA215E, ALA228D, ARG169D, ARG218E, ARG231D, ASN162D, ASN206E, ASN220D, ASN220E, ASN229D, ASP123E, ASP145D, CYS122E, CYS147D, CYS177E, CYS213E, CYS219E, CYS233D, GLN134D, GLN142D, GLN184E, GLN198E, GLN227D, GLN244D, GLU163D, GLU194E, GLU201E, GLU211E, GLU212E, GLU224D, GLU224E, GLU230D, GLU232D, GLU234D, GLU247D, GLY141D, GLY157D, GLY168D, GLY180E, GLY245D, ILE103E, ILE150D, ILE166D, ILE197E, ILE208E, ILE221D, ILE221E, ILE239D, ILE97E, LEU119E, LEU121E, LEU124E, LEU165D, LEU181E, LEU202E, LEU210E, LEU216E, LEU225D, LEU225E, LEU236D, LEU51E, LYS154D, LYS154E, LYS158D, LYS179D, LYS179E, LYS214E, LYS222E, LYS238D, MET155D, MET155E, MET156D, MET156E, MET164D, PHE140D, PHE152D, PHE186E, PRO102E, PRO120E, PRO136D, PRO144D, PRO153D, SER143D, SER148D, SER149D, SER160D, SER183E, SER204E, SER242D, SER248D, THR138D, THR139D, THR151D, THR151E, TRP126E, TYR137D, TYR205E, VAL104E, VAL105E, VAL125E, VAL182E, VAL185E, VAL209E, VAL217E, VAL235D
• D-F: ALA159F, ALA161F, ALA167F, ALA176D, ALA178D, ALA178F, ALA207D, ALA215D, ALA228F, ARG169F, ARG218D, ARG231F, ASN162F, ASN206D, ASN220D, ASN229F, ASP123D, ASP145F, CYS122D, CYS147F, CYS177D, CYS213D, CYS219D, CYS233F, GLN134F, GLN142F, GLN184D, GLN198D, GLN227F, GLN244F, GLU163F, GLU175D, GLU194D, GLU201D, GLU211D, GLU212D, GLU224D, GLU224F, GLU230F, GLU232F, GLU234F, GLU247F, GLY141F, GLY157F, GLY168F, GLY180D, GLY245F, ILE103D, ILE118D, ILE150F, ILE166F, ILE197D, ILE199D, ILE208D, ILE221D, ILE221F, ILE239F, ILE97D, LEU119D, LEU121D, LEU124D, LEU165F, LEU181D, LEU202D, LEU210D, LEU216D, LEU225D, LEU225F, LEU236F, LEU51D, LYS154D, LYS154F, LYS158F, LYS179D, LYS179F, LYS214D, LYS238F, LYS251F, LYS50D, MET155D, MET155F, MET156D, MET156F, MET164F, PHE140F, PHE152F, PHE186D, PHE96D, PRO102D, PRO120D, PRO136F, PRO144F, PRO153F, SER143F, SER148F, SER149F, SER160F, SER183D, SER204D, SER242F, SER248F, THR138F, THR139F, THR151D, THR151F, TRP126D, TYR137F, TYR205D, VAL104D, VAL105D, VAL125D, VAL182D, VAL185D, VAL209D, VAL217D, VAL235F
• E-F: ALA127F, ALA159E, ALA161E, ALA167E, ALA176F, ALA178E, ALA178F, ALA207F, ALA215F, ALA228E, ARG169E, ARG174F, ARG218F, ARG231E, ASN162E, ASN206F, ASN220F, ASN229E, ASP123F, ASP145E, CYS122F, CYS147E, CYS177F, CYS213F, CYS219F, CYS233E, GLN134E, GLN142E, GLN184F, GLN198F, GLN227E, GLN244E, GLU163E, GLU175F, GLU194F, GLU201F, GLU211F, GLU212F, GLU224E, GLU224F, GLU230E, GLU232E, GLU234E, GLU247E, GLY141E, GLY157E, GLY168E, GLY180F, GLY245E, ILE103F, ILE118F, ILE150E, ILE166E, ILE199F, ILE208F, ILE221E, ILE221F, ILE239E, ILE97F, LEU119F, LEU121F, LEU124F, LEU165E, LEU171E, LEU181F, LEU202F, LEU210F, LEU216F, LEU225E, LEU225F, LEU236E, LEU51F, LYS154E, LYS154F, LYS158E, LYS179E, LYS179F, LYS214F, LYS238E, MET155E, MET155F, MET156E, MET156F, MET164E, PHE140E, PHE152E, PHE186F, PHE96F, PHE99F, PRO102F, PRO120F, PRO136E, PRO144E, PRO153E, SER143E, SER148E, SER149E, SER160E, SER183F, SER204F, SER242E, SER248E, THR138E, THR139E, THR151E, THR151F, TRP126F, TYR137E, TYR205F, VAL104F, VAL105F, VAL125F, VAL182F, VAL185F, VAL195F, VAL209F, VAL217F, VAL235E